6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one

C120H168N26O7 — CID 162022006

IUPAC6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one
SMILESCOc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1.COc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1C.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(-c5ccccc5)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(C(C)(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(N(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N
InChIInChI=1S/C27H33N5O.C25H37N5O.C23H34N6O.C23H33N5O2.C22H31N5O2/c1-18-12-13-27(23(18)28)14-16-32(17-15-27)26-30-24(29)22(25(33)31(26)2)21-10-8-20(9-11-21)19-6-4-3-5-7-19;1-16-10-11-25(20(16)26)12-14-30(15-13-25)23-28-21(27)19(22(31)29(23)5)17-6-8-18(9-7-17)24(2,3)4;1-15-9-10-23(19(15)24)11-13-29(14-12-23)22-26-20(25)18(21(30)28(22)4)16-5-7-17(8-6-16)27(2)3;1-14-7-8-23(19(14)24)9-11-28(12-10-23)22-26-20(25)18(21(29)27(22)3)16-5-6-17(30-4)15(2)13-16;1-14-8-9-22(18(14)23)10-12-27(13-11-22)21-25-19(24)17(20(28)26(21)2)15-4-6-16(29-3)7-5-15/h3-11,18,23H,12-17,28-29H2,1-2H3;6-9,16,20H,10-15,26-27H2,1-5H3;5-8,15,19H,9-14,24-25H2,1-4H3;5-6,13-14,19H,7-12,24-25H2,1-4H3;4-7,14,18H,8-13,23-24H2,1-3H3/t18-,23-;16-,20-;15-,19-;14-,19-;14-,18-/m11111/s1
InChIKeyYUWFVULJMKSSNF-FQWXQJERSA-N
MW2086.84 g/mol
LogP15.22
Rot. Bonds14

About 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one

6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one (PubChem CID 162022006) has the molecular formula C120H168N26O7 and a molecular weight of 2086.84 g/mol. Its IUPAC name is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one
PubChem CID162022006
Molecular FormulaC120H168N26O7
Molecular Weight2086.84 g/mol
Exact Mass2085.36
IUPAC Name6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one
SMILESCOc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1.COc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1C.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(-c5ccccc5)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(C(C)(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(N(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N
InChIInChI=1S/C27H33N5O.C25H37N5O.C23H34N6O.C23H33N5O2.C22H31N5O2/c1-18-12-13-27(23(18)28)14-16-32(17-15-27)26-30-24(29)22(25(33)31(26)2)21-10-8-20(9-11-21)19-6-4-3-5-7-19;1-16-10-11-25(20(16)26)12-14-30(15-13-25)23-28-21(27)19(22(31)29(23)5)17-6-8-18(9-7-17)24(2,3)4;1-15-9-10-23(19(15)24)11-13-29(14-12-23)22-26-20(25)18(21(30)28(22)4)16-5-7-17(8-6-16)27(2)3;1-14-7-8-23(19(14)24)9-11-28(12-10-23)22-26-20(25)18(21(29)27(22)3)16-5-6-17(30-4)15(2)13-16;1-14-8-9-22(18(14)23)10-12-27(13-11-22)21-25-19(24)17(20(28)26(21)2)15-4-6-16(29-3)7-5-15/h3-11,18,23H,12-17,28-29H2,1-2H3;6-9,16,20H,10-15,26-27H2,1-5H3;5-8,15,19H,9-14,24-25H2,1-4H3;5-6,13-14,19H,7-12,24-25H2,1-4H3;4-7,14,18H,8-13,23-24H2,1-3H3/t18-,23-;16-,20-;15-,19-;14-,19-;14-,18-/m11111/s1
InChIKeyYUWFVULJMKSSNF-FQWXQJERSA-N
XLogP15.22
TPSA472.55 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds14
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.84
LogP ≤ 515.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one?
The IUPAC name of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one (CID 162022006) is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one is COc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1.COc1ccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)cc1C.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(-c5ccccc5)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(C(C)(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(N(C)C)cc4)c(=O)n3C)CC2)[C@@H]1N.
What is the InChIKey of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one?
The InChIKey is YUWFVULJMKSSNF-FQWXQJERSA-N. The full InChI is InChI=1S/C27H33N5O.C25H37N5O.C23H34N6O.C23H33N5O2.C22H31N5O2/c1-18-12-13-27(23(18)28)14-16-32(17-15-27)26-30-24(29)22(25(33)31(26)2)21-10-8-20(9-11-21)19-6-4-3-5-7-19;1-16-10-11-25(20(16)26)12-14-30(15-13-25)23-28-21(27)19(22(31)29(23)5)17-6-8-18(9-7-17)24(2,3)4;1-15-9-10-23(19(15)24)11-13-29(14-12-23)22-26-20(25)18(21(30)28(22)4)16-5-7-17(8-6-16)27(2)3;1-14-7-8-23(19(14)24)9-11-28(12-10-23)22-26-20(25)18(21(29)27(22)3)16-5-6-17(30-4)15(2)13-16;1-14-8-9-22(18(14)23)10-12-27(13-11-22)21-25-19(24)17(20(28)26(21)2)15-4-6-16(29-3)7-5-15/h3-11,18,23H,12-17,28-29H2,1-2H3;6-9,16,20H,10-15,26-27H2,1-5H3;5-8,15,19H,9-14,24-25H2,1-4H3;5-6,13-14,19H,7-12,24-25H2,1-4H3;4-7,14,18H,8-13,23-24H2,1-3H3/t18-,23-;16-,20-;15-,19-;14-,19-;14-,18-/m11111/s1.
What are the key properties of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one?
6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one has a molecular weight of 2086.84 g/mol, XLogP of 15.22, 14 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-tert-butylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-[4-(dimethylamino)phenyl]-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxy-3-methylphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylphenyl)pyrimidin-4-one is sourced from PubChem (CID 162022006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).